2-(1-hydroxyethyl)pyridine-4-carbonitrile

C8H8N2O — CID 45080011

IUPAC2-(1-hydroxyethyl)pyridine-4-carbonitrile
SMILESCC(O)c1cc(C#N)ccn1
InChIInChI=1S/C8H8N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4,6,11H,1H3
InChIKeySWIPZFANOCNCDM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.01
Rot. Bonds1

About 2-(1-hydroxyethyl)pyridine-4-carbonitrile

2-(1-hydroxyethyl)pyridine-4-carbonitrile (PubChem CID 45080011) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxyethyl)pyridine-4-carbonitrile
PubChem CID45080011
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(1-hydroxyethyl)pyridine-4-carbonitrile
SMILESCC(O)c1cc(C#N)ccn1
InChIInChI=1S/C8H8N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4,6,11H,1H3
InChIKeySWIPZFANOCNCDM-UHFFFAOYSA-N
XLogP1.01
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(1-hydroxyethyl)pyridine-4-carbonitrile (CID 45080011) is 2-(1-hydroxyethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-hydroxyethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1-hydroxyethyl)pyridine-4-carbonitrile is CC(O)c1cc(C#N)ccn1.
What is the InChIKey of 2-(1-hydroxyethyl)pyridine-4-carbonitrile?
The InChIKey is SWIPZFANOCNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4,6,11H,1H3.
What are the key properties of 2-(1-hydroxyethyl)pyridine-4-carbonitrile?
2-(1-hydroxyethyl)pyridine-4-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 45080011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).